GSK-945237
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- GSK-945237
- DrugBank Accession Number
- DB15345
- Background
GSK-945237 is under investigation in clinical trial NCT01039610 (A Single Center Four Part Study in Healthy Adult Subjects to Evaluate: the Safety, Tolerability and Pharmacokinetics of a Single Oral Dose and Repeat Escalating Oral Doses of GSK945237; the Effect of Linezolid on Hematology Safety Parameters; and the Effects of GSK945237 and Moxifloxacin on QTc.).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 451.502
Monoisotopic: 451.20196788 - Chemical Formula
- C24H26FN5O3
- Synonyms
- Not Available
- External IDs
- GSK945237
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- U9T63BZ3AS
- CAS number
- 944406-54-6
- InChI Key
- SRICOHRDRMZREQ-MRXNPFEDSA-N
- InChI
- InChI=1S/C24H26FN5O3/c25-19-3-1-15-2-4-21(31)30-14-16(22(19)23(15)30)13-29-7-5-17(6-8-29)26-12-18-11-20-24(28-27-18)33-10-9-32-20/h1-4,11,16-17,26H,5-10,12-14H2/t16-/m1/s1
- IUPAC Name
- (3R)-3-({4-[({6H,7H-[1,4]dioxino[2,3-c]pyridazin-3-yl}methyl)amino]piperidin-1-yl}methyl)-5-fluoro-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12),9-tetraen-11-one
- SMILES
- FC1=C2[C@H](CN3CCC(CC3)NCC3=NN=C4OCCOC4=C3)CN3C2=C(C=C1)C=CC3=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 58912312
- BindingDB
- 50156545
- ChEMBL
- CHEMBL3793226
- ZINC
- ZINC000138115734
- PDBe Ligand
- 6EJ
- PDB Entries
- 5iwi / 5iwm / 5npp
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Not Available Bacterial Infections / Healthy Volunteers (HV) 1 1 Withdrawn Treatment Bacterial Infections 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.12 mg/mL ALOGPS logP 1.41 ALOGPS logP 0.68 Chemaxon logS -3.6 ALOGPS pKa (Strongest Basic) 8.39 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 79.82 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 123.17 m3·mol-1 Chemaxon Polarizability 47.9 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0000900000-a16defe322e0c252f541 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0010900000-c8b9ff86bc649e48b8e8 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0fdt-4474900000-5c2e561c7bb72334060c Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0uxr-4000900000-3f0e7e99c7f7b12901f2 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0zfr-1001900000-e59922d3d4294d57d115 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0gb9-2900500000-003d74828522f58d95ff Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 15:17 / Updated at June 12, 2020 16:53